[2-(hydroxymethyl)piperidin-1-yl]-[3-(3-methoxyphenyl)indolizin-2-yl]methanone

C22H24N2O3 — CID 71456918

IUPAC[2-(hydroxymethyl)piperidin-1-yl]-[3-(3-methoxyphenyl)indolizin-2-yl]methanone
SMILESCOc1cccc(-c2c(C(=O)N3CCCCC3CO)cc3ccccn23)c1
InChIInChI=1S/C22H24N2O3/c1-27-19-10-6-7-16(13-19)21-20(14-17-8-2-4-11-23(17)21)22(26)24-12-5-3-9-18(24)15-25/h2,4,6-8,10-11,13-14,18,25H,3,5,9,12,15H2,1H3
InChIKeyCORFFCKGBFFQAQ-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.60
Rot. Bonds4

About [2-(hydroxymethyl)piperidin-1-yl]-[3-(3-methoxyphenyl)indolizin-2-yl]methanone

[2-(hydroxymethyl)piperidin-1-yl]-[3-(3-methoxyphenyl)indolizin-2-yl]methanone (PubChem CID 71456918) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is [2-(hydroxymethyl)piperidin-1-yl]-[3-(3-methoxyphenyl)indolizin-2-yl]methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)piperidin-1-yl]-[3-(3-methoxyphenyl)indolizin-2-yl]methanone
PubChem CID71456918
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name[2-(hydroxymethyl)piperidin-1-yl]-[3-(3-methoxyphenyl)indolizin-2-yl]methanone
SMILESCOc1cccc(-c2c(C(=O)N3CCCCC3CO)cc3ccccn23)c1
InChIInChI=1S/C22H24N2O3/c1-27-19-10-6-7-16(13-19)21-20(14-17-8-2-4-11-23(17)21)22(26)24-12-5-3-9-18(24)15-25/h2,4,6-8,10-11,13-14,18,25H,3,5,9,12,15H2,1H3
InChIKeyCORFFCKGBFFQAQ-UHFFFAOYSA-N
XLogP3.60
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)piperidin-1-yl]-[3-(3-methoxyphenyl)indolizin-2-yl]methanone?
The IUPAC name of [2-(hydroxymethyl)piperidin-1-yl]-[3-(3-methoxyphenyl)indolizin-2-yl]methanone (CID 71456918) is [2-(hydroxymethyl)piperidin-1-yl]-[3-(3-methoxyphenyl)indolizin-2-yl]methanone.
What is the SMILES notation for [2-(hydroxymethyl)piperidin-1-yl]-[3-(3-methoxyphenyl)indolizin-2-yl]methanone?
The canonical SMILES for [2-(hydroxymethyl)piperidin-1-yl]-[3-(3-methoxyphenyl)indolizin-2-yl]methanone is COc1cccc(-c2c(C(=O)N3CCCCC3CO)cc3ccccn23)c1.
What is the InChIKey of [2-(hydroxymethyl)piperidin-1-yl]-[3-(3-methoxyphenyl)indolizin-2-yl]methanone?
The InChIKey is CORFFCKGBFFQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-27-19-10-6-7-16(13-19)21-20(14-17-8-2-4-11-23(17)21)22(26)24-12-5-3-9-18(24)15-25/h2,4,6-8,10-11,13-14,18,25H,3,5,9,12,15H2,1H3.
What are the key properties of [2-(hydroxymethyl)piperidin-1-yl]-[3-(3-methoxyphenyl)indolizin-2-yl]methanone?
[2-(hydroxymethyl)piperidin-1-yl]-[3-(3-methoxyphenyl)indolizin-2-yl]methanone has a molecular weight of 364.45 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)piperidin-1-yl]-[3-(3-methoxyphenyl)indolizin-2-yl]methanone is sourced from PubChem (CID 71456918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).